N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide

C18H28N2O — CID 79377026

IUPACN-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide
SMILESCc1cccc(CCC(C)NCCCC(=O)NC2CC2)c1
InChIInChI=1S/C18H28N2O/c1-14-5-3-6-16(13-14)9-8-15(2)19-12-4-7-18(21)20-17-10-11-17/h3,5-6,13,15,17,19H,4,7-12H2,1-2H3,(H,20,21)
InChIKeyJZWRTRLROKHNNV-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.96
Rot. Bonds9

About N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide

N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide (PubChem CID 79377026) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide
PubChem CID79377026
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide
SMILESCc1cccc(CCC(C)NCCCC(=O)NC2CC2)c1
InChIInChI=1S/C18H28N2O/c1-14-5-3-6-16(13-14)9-8-15(2)19-12-4-7-18(21)20-17-10-11-17/h3,5-6,13,15,17,19H,4,7-12H2,1-2H3,(H,20,21)
InChIKeyJZWRTRLROKHNNV-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
N-cyclopropyl-4-[4-(furan-2-yl)butan-2-ylamino]butanamide
CID 79394921
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide
CID 121021894
N-cyclopropyl-4-(hexan-2-ylamino)butanamide
CID 79394095
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004794
N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
CID 63450215
N-cyclohexyl-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62313383
N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide
CID 61171893
N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide
CID 103776608
N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013435

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide (CID 79377026) is N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide is Cc1cccc(CCC(C)NCCCC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide?
The InChIKey is JZWRTRLROKHNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-5-3-6-16(13-14)9-8-15(2)19-12-4-7-18(21)20-17-10-11-17/h3,5-6,13,15,17,19H,4,7-12H2,1-2H3,(H,20,21).
What are the key properties of N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide?
N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide has a molecular weight of 288.44 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide is sourced from PubChem (CID 79377026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).